N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide

C18H26N4O2 — CID 42849978

IUPACN-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1
InChIInChI=1S/C18H26N4O2/c1-13(2)11-17(23)20-15-5-6-16(19-12-15)21-7-9-22(10-8-21)18(24)14-3-4-14/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,20,23)
InChIKeyYXLBHIAXMURYHV-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.12
Rot. Bonds5

About N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide

N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 42849978) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
PubChem CID42849978
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1
InChIInChI=1S/C18H26N4O2/c1-13(2)11-17(23)20-15-5-6-16(19-12-15)21-7-9-22(10-8-21)18(24)14-3-4-14/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,20,23)
InChIKeyYXLBHIAXMURYHV-UHFFFAOYSA-N
XLogP2.12
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide
CID 119871177
3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride
CID 119871176
ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide
CID 50842318
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 46157166
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42850231
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119871174
1-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-(2,5-dimethylphenyl)urea
CID 46053542
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 166183455

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide (CID 42849978) is N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1.
What is the InChIKey of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide?
The InChIKey is YXLBHIAXMURYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(2)11-17(23)20-15-5-6-16(19-12-15)21-7-9-22(10-8-21)18(24)14-3-4-14/h5-6,12-14H,3-4,7-11H2,1-2H3,(H,20,23).
What are the key properties of N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide?
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 330.43 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 42849978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).